This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Ilepcimide
- DrugBank Accession Number
- DB16942
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Ilepcimide (DB16942)
- Weight
- Average: 259.305
Monoisotopic: 259.120843411 - Chemical Formula
- C15H17NO3
- Synonyms
- 1-((e)-3,4-(methylenedioxy)cinnamoyl)piperidine
- Antiepilepsirine
- Piperidine, 1-(3-(1,3-benzodioxol-5-yl)-1-oxo-2-propenyl)-, (e)-
Pharmacology
- Indication
Not Available
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Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 5ML58O200F
- CAS number
- 82857-82-7
- InChI Key
- BLPUOQGPBJPXRL-FNORWQNLSA-N
- InChI
- InChI=1S/C15H17NO3/c17-15(16-8-2-1-3-9-16)7-5-12-4-6-13-14(10-12)19-11-18-13/h4-7,10H,1-3,8-9,11H2/b7-5+
- IUPAC Name
- (2E)-3-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one
- SMILES
- O=C(\C=C\C1=CC=C2OCOC2=C1)N1CCCCC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 556435
- BindingDB
- 50415871
- ChEBI
- 177671
- ChEMBL
- CHEMBL118478
- ZINC
- ZINC000000001551
- Wikipedia
- Ilepcimide
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.974 mg/mL ALOGPS logP 2.3 ALOGPS logP 2.25 Chemaxon logS -2.4 ALOGPS pKa (Strongest Basic) -0.28 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 38.77 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 72.58 m3·mol-1 Chemaxon Polarizability 28.35 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 14, 2022 16:45 / Updated at December 01, 2022 11:33